2-[4-[1-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl-propyl-amino]butan-2-yloxy]-2-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[1-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl-propyl-amino]butan-2-yloxy]-2-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-[1-[[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-propyl-amino]methyl]propoxy]-2-methoxy-phenoxy]acetic acid CAS Name: 2-[4-[1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl-propylamino]butan-2-yloxy]-2-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-[1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl-propylamino]butan-2-yloxy]-2-methoxyphenoxy]acetic acid Traditional Name: 2-[4-[1-[[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-propyl-amino]methyl]propoxy]-2-methoxy-phenoxy]acetic acid Formula: C25H30ClNO7S2 MolecularWeight: 556.0912

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(CC)OC1=CC(=C(C=C1)OCC(=O)O)OC)S(=O)(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)C

Isomeric SMILES

CCCN(CC(CC)OC1=CC(=C(C=C1)OCC(=O)O)OC)S(=O)(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)C

InChI

InChI=1S/C25H30ClNO7S2/c1-5-11-27(36(30,31)25-16(3)20-12-17(26)7-10-23(20)35-25)14-18(6-2)34-19-8-9-21(22(13-19)32-4)33-15-24(28)29/h7-10,12-13,18H,5-6,11,14-15H2,1-4H3,(H,28,29)